SCHEMBL7912832

SCHEMBL7912832

CCOC(=O)[C@@H]1CCCN[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16579394 1.00 MAPT (0.40) MAPTPKMMEN1BLMKMT2A
SCHEMBL16579360 1.00 MAPT (0.40) MAPTPKMMEN1BLMKMT2A
SCHEMBL2356808 1.00 MAPT (0.40) MAPTPKMMEN1BLMKMT2A
SCHEMBL7919683 1.00 MAPT (0.40) MAPTPKMMEN1BLMKMT2A
SCHEMBL22679988 0.89 MAPT (0.44) MAPTPKMMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL22491857 0.88 MAPT (0.47) MAPTPKMSLC6A2SLC6A3SLC6A4
SCHEMBL9087268 0.83 MEN1 (0.46) MAPTPKMMEN1BLMKMT2A
SCHEMBL19048799 0.83 MAPT (0.40) MAPTPKMMEN1BLMKMT2A
SCHEMBL68965 0.83 MEN1 (0.46) MAPTPKMMEN1BLMKMT2A
SCHEMBL29277719 0.81 MEN1 (0.37) MEN1BLMKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350061-B1 2,3-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8357700-B2 2,3-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-8357700-B2 2,3-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-10-27 US disclosed
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-10-27 US disclosed
WO-2010048016-A1 2,3-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 MAPT 960/4885PKM 3692/4885MEN1 2214/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.